2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide

C16H16Cl2N4O2S2 — CID 51722172

About 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide

2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide (PubChem CID 51722172) has the molecular formula C16H16Cl2N4O2S2 and a molecular weight of 431.37 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide
• PubChem CID: 51722172
• Molecular Formula: C16H16Cl2N4O2S2
• Molecular Weight: 431.37 g/mol
• Exact Mass: 430.01
• IUPAC Name: 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide
• SMILES: CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn12
• InChI: InChI=1S/C16H16Cl2N4O2S2/c1-25-9-7-13(16-20-19-15-4-2-3-8-22(15)16)21-26(23,24)14-10-11(17)5-6-12(14)18/h2-6,8,10,13,21H,7,9H2,1H3/t13-/m1/s1
• InChIKey: GKKYYNLCOIISLH-CYBMUJFWSA-N
• XLogP: 3.81
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.37
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide?

The IUPAC name of 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide (CID 51722172) is 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide.

What is the SMILES notation for 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide?

The canonical SMILES for 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide is CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn12.

What is the InChIKey of 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide?

The InChIKey is GKKYYNLCOIISLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2S2/c1-25-9-7-13(16-20-19-15-4-2-3-8-22(15)16)21-26(23,24)14-10-11(17)5-6-12(14)18/h2-6,8,10,13,21H,7,9H2,1H3/t13-/m1/s1.

What are the key properties of 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide?

2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide has a molecular weight of 431.37 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 51722172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).